(2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid

C12H15FN2O2 — CID 90464997

IUPAC(2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H]1CNc1cccc(F)c1
InChIInChI=1S/C12H15FN2O2/c13-9-3-1-4-10(7-9)14-8-11-5-2-6-15(11)12(16)17/h1,3-4,7,11,14H,2,5-6,8H2,(H,16,17)/t11-/m1/s1
InChIKeyDDRAKDQEOHMDSU-LLVKDONJSA-N
MW238.26 g/mol
LogP2.38
Rot. Bonds3

About (2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid

(2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid (PubChem CID 90464997) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
PubChem CID90464997
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H]1CNc1cccc(F)c1
InChIInChI=1S/C12H15FN2O2/c13-9-3-1-4-10(7-9)14-8-11-5-2-6-15(11)12(16)17/h1,3-4,7,11,14H,2,5-6,8H2,(H,16,17)/t11-/m1/s1
InChIKeyDDRAKDQEOHMDSU-LLVKDONJSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 90117469
2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 175733290
tert-butyl 2-[(3-methylsulfanylanilino)methyl]pyrrolidine-1-carboxylate
CID 106636223
(2R)-2-tert-butyl-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
CID 67445507
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
tert-butyl 2-[(4-fluoroanilino)methyl]pyrrolidine-1-carboxylate
CID 103846096
N-(3-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62046362
tert-butyl 2-[[(3-fluorobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 123815493
N-(3-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928586
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
(2R)-2-amino-1-[(2S)-2-(anilinomethyl)pyrrolidin-1-yl]-4-(2-fluorophenyl)butan-1-one
CID 140522783
[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651602

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid (CID 90464997) is (2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCC[C@@H]1CNc1cccc(F)c1.
What is the InChIKey of (2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is DDRAKDQEOHMDSU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-3-1-4-10(7-9)14-8-11-5-2-6-15(11)12(16)17/h1,3-4,7,11,14H,2,5-6,8H2,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid?
(2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 90464997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).